70675830 -OEChem-05092420262D 108102 0 1 0 0 0 0 0999 V2000 10.6603 9.5000 0.0000 Gd 0 1 0 0 0 0 0 0 0 0 0 0 2.0000 -9.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 -11.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.9282 -8.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.9282 11.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 8.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.0622 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 8.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 -8.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.9282 8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.7942 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 11.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 8.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -11.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.0622 -8.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.9282 9.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 9.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -9.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -9.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 6.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -6.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 4.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 -4.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 8.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -8.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 4.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 5.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -4.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -5.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 7.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 6.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -7.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -6.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 7.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 8.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -7.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -8.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 6.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 7.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -6.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -7.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 10.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 9.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 7.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 7.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -10.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -9.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -7.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -7.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 51 2 0 0 0 0 8 52 2 0 0 0 0 9 53 1 0 0 0 0 10 54 1 0 0 0 0 11 53 2 0 0 0 0 12 54 2 0 0 0 0 13 55 1 0 0 0 0 14 56 1 0 0 0 0 15 55 2 0 0 0 0 16 56 2 0 0 0 0 17 57 1 0 0 0 0 18 58 1 0 0 0 0 19 59 1 0 0 0 0 20 60 1 0 0 0 0 21 57 2 0 0 0 0 22 58 2 0 0 0 0 23 59 2 0 0 0 0 24 60 2 0 0 0 0 25 33 1 0 0 0 0 25 35 1 0 0 0 0 25 41 1 0 0 0 0 26 34 1 0 0 0 0 26 36 1 0 0 0 0 26 42 1 0 0 0 0 27 37 1 0 0 0 0 27 43 1 0 0 0 0 27 45 1 0 0 0 0 28 38 1 0 0 0 0 28 44 1 0 0 0 0 28 46 1 0 0 0 0 29 39 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 30 40 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 31 61 1 0 0 0 0 31103 1 0 0 0 0 32 52 1 0 0 0 0 32 62 1 0 0 0 0 32104 1 0 0 0 0 33 37 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 34 38 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 35 39 1 0 0 0 0 35 71 1 0 0 0 0 35 72 1 0 0 0 0 36 40 1 0 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 38 77 1 0 0 0 0 38 78 1 0 0 0 0 39 79 1 0 0 0 0 39 80 1 0 0 0 0 40 81 1 0 0 0 0 40 82 1 0 0 0 0 41 53 1 0 0 0 0 41 83 1 0 0 0 0 41 84 1 0 0 0 0 42 54 1 0 0 0 0 42 85 1 0 0 0 0 42 86 1 0 0 0 0 43 51 1 0 0 0 0 43 87 1 0 0 0 0 43 88 1 0 0 0 0 44 52 1 0 0 0 0 44 89 1 0 0 0 0 44 90 1 0 0 0 0 45 55 1 0 0 0 0 45 91 1 0 0 0 0 45 92 1 0 0 0 0 46 56 1 0 0 0 0 46 93 1 0 0 0 0 46 94 1 0 0 0 0 47 57 1 0 0 0 0 47 95 1 0 0 0 0 47 96 1 0 0 0 0 48 58 1 0 0 0 0 48 97 1 0 0 0 0 48 98 1 0 0 0 0 49 59 1 0 0 0 0 49 99 1 0 0 0 0 49100 1 0 0 0 0 50 60 1 0 0 0 0 50101 1 0 0 0 0 50102 1 0 0 0 0 61 63 2 0 0 0 0 61 65 1 0 0 0 0 62 64 2 0 0 0 0 62 66 1 0 0 0 0 63 64 1 0 0 0 0 63105 1 0 0 0 0 64106 1 0 0 0 0 65 66 2 0 0 0 0 65107 1 0 0 0 0 66108 1 0 0 0 0 M CHG 8 1 3 2 1 3 1 4 1 5 1 6 1 9 -1 10 -1 M CHG 6 13 -1 14 -1 17 -1 18 -1 19 -1 20 -1 M END > 70675830 > 1 > 1310 > 24 > 2 > 26 > AAADcfB//jAAAAAAAAAAAAAgAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQAAAACAjBkAQwyIPAAACIACXSWACCAAAhAgAIiACIZIgKYCLAkbGUIAhglADYyAcQAAAAAACAAAAAAAAAAQAAAAAAAAAAAAAAAA== > pentasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-[2-[[2-[4-[[2-[2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetyl]amino]anilino]-2-oxo-ethyl]-(carboxylatomethyl)amino]ethyl]amino]acetate;gadolinium(3+) > pentasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-[2-[[2-[4-[[2-[2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]-1-oxoethyl]amino]anilino]-2-oxoethyl]-(carboxylatomethyl)amino]ethyl]amino]acetate;gadolinium(3+) > pentasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-[2-[[2-[4-[[2-[2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetyl]amino]anilino]-2-oxoethyl]-(carboxylatomethyl)amino]ethyl]amino]acetate;gadolinium(3+) > pentasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-[2-[[2-[4-[[2-[2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetyl]amino]anilino]-2-oxoethyl]-(carboxylatomethyl)amino]ethyl]amino]acetate;gadolinium(3+) > pentasodium;2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-[2-[[2-[[4-[2-[2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoylamino]phenyl]amino]-2-oxidanylidene-ethyl]-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate;gadolinium(3+) > pentasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-[2-[[2-[4-[[2-[2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetyl]amino]anilino]-2-keto-ethyl]-(carboxylatomethyl)amino]ethyl]amino]acetate;gadolinium(3+) > InChI=1S/C34H50N8O18.Gd.5Na/c43-25(13-39(17-29(49)50)9-5-37(15-27(45)46)7-11-41(19-31(53)54)20-32(55)56)35-23-1-2-24(4-3-23)36-26(44)14-40(18-30(51)52)10-6-38(16-28(47)48)8-12-42(21-33(57)58)22-34(59)60;;;;;;/h1-4H,5-22H2,(H,35,43)(H,36,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60);;;;;;/q;+3;5*+1/p-8 > OVMGWSNSKFUWNL-UHFFFAOYSA-F > 1123.13466 > C34H42GdN8Na5O18 > 1122.9 > C1=CC(=CC=C1NC(=O)CN(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])NC(=O)CN(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Gd+3] > C1=CC(=CC=C1NC(=O)CN(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])NC(=O)CN(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Gd+3] > 399 > 1123.13466 > 0 > 66 > 0 > 0 > 0 > 0 > 0 > 7 > -1 > 1 5 255 > 61 63 8 61 65 8 62 64 8 62 66 8 63 64 8 65 66 8 $$$$